dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate

C11H15NO4 — CID 56696515

IUPACdimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(C)c1C
InChIInChI=1S/C11H15NO4/c1-6-8(10(13)15-4)9(11(14)16-5)7(2)12(6)3/h1-5H3
InChIKeyUKCHNFDDAKOECU-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.22
Rot. Bonds2

About dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate

dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate (PubChem CID 56696515) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate
PubChem CID56696515
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namedimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(C)c1C
InChIInChI=1S/C11H15NO4/c1-6-8(10(13)15-4)9(11(14)16-5)7(2)12(6)3/h1-5H3
InChIKeyUKCHNFDDAKOECU-UHFFFAOYSA-N
XLogP1.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate (CID 56696515) is dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate is COC(=O)c1c(C(=O)OC)c(C)n(C)c1C.
What is the InChIKey of dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate?
The InChIKey is UKCHNFDDAKOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-8(10(13)15-4)9(11(14)16-5)7(2)12(6)3/h1-5H3.
What are the key properties of dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate?
dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,5-trimethylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 56696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).